UCSF

ZINC41681609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 5.31 -98.49 4 3 2 35 231.428 9
Hi High (pH 8-9.5) 1.74 2.83 -37.31 3 3 1 34 230.42 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )